4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester

Base Information

• Chemical Name: 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester
• CAS No.: 943827-03-0
• Molecular Formula: C₂₂H₂₀N₄O₂S
• Molecular Weight: 404.492
• Mol file: 943827-03-0.mol

Synonyms:4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester

Chemical Property of 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester

There total 3 articles about 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 47.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 4-[4-(4-bromo-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benzonitrile (374067-83-1) → 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester (943827-03-0)

Guidance literature:

With potassium carbonate; triphenylphosphine; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 72h; under 7500.75 Torr;

DOI:10.1016/j.ejmech.2006.11.014

Reference yield:

4-bromo-2,6-dimethylbenzenethiol (89981-04-4) → 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester (943827-03-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / sodium hydride; N-methyl-2-pyrrolidone / dioxane / 150 °C

2: 47 percent / triphenylphosphine; K₂CO₃ / Pd(OAc)2 / dimethylformamide / 72 h / 90 °C / 7500.75 Torr

With 1-methyl-pyrrolidin-2-one; sodium hydride; potassium carbonate; triphenylphosphine; palladium diacetate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2006.11.014

Reference yield:

4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile (244768-32-9) → 4-[2-(4-cyanophenylamino)pyrimidin-4-ylsulfanyl]-3,5-dimethylbenzoic acid ethyl ester (943827-03-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / sodium hydride; N-methyl-2-pyrrolidone / dioxane / 150 °C

2: 47 percent / triphenylphosphine; K₂CO₃ / Pd(OAc)2 / dimethylformamide / 72 h / 90 °C / 7500.75 Torr

With 1-methyl-pyrrolidin-2-one; sodium hydride; potassium carbonate; triphenylphosphine; palladium diacetate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2006.11.014

upstream raw materials:

ethanol

carbon monoxide

4-[4-(4-bromo-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benzonitrile

4-bromo-2,6-dimethylbenzenethiol

Downstream raw materials:

4-[4-(4-hydroxymethyl-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benzonitrile

4-[4-(4-formyl-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benznitrile